SCHEMBL13044819

SCHEMBL13044819

C=Cc1cnc(Oc2cc(C(=O)OC)c(N(C(=O)[C@H]3CC[C@H](C)CC3)C(C)C)cc2F)c(C(F)(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 4/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ LRRK2 Q5S007 4/20 0.31
▸ KDR P35968 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13044739 0.93 SCN9A (0.34) PTK2SCN9AKDR
SCHEMBL13044815 0.92 SCN9A (0.33) SCN9A
SCHEMBL11991509 0.92 PTK2 (0.33) PTK2SCN9ALRRK2
SCHEMBL13044791 0.89 PTK2 (0.34) PTK2SCN9ALRRK2KDR
SCHEMBL13946764 0.89 PTK2 (0.34) PTK2SCN9ALRRK2KDR
SCHEMBL13947534 0.89 SSTR4 (0.35) PTK2SCN9ALRRK2KDR
SCHEMBL13044814 0.89 SCN9A (0.33) PTK2SCN9AKDR
SCHEMBL13044756 0.89 SCN9A (0.34) PTK2SCN9AKDR
SCHEMBL13044723 0.88 PTK2 (0.33) PTK2SCN9ALRRK2KDR
SCHEMBL12763892 0.88 KDR (0.33) SCN9AKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 — — US disclosed
WO-2009018656-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-12 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B PTK2 4679/4885SCN9A 1852/4885LRRK2 4091/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback